1 85353854540 1 3 1000.0000 7 0 0 s 2 p 4 p 0 f 0 h 0 k 0 s 0 d 0 ca v s2p4 e= -148222.77285 s 2 p 3 p 1 f 0 h 0 k 0 s 0 d 0 ca v s2p3 4p e= -147811.41690 s 2 p 3 p 1 f 0 h 0 k 0 s 0 d 0 ca v s2p3 5p e= -147686.48182 s 2 p 3 p 1 f 0 h 0 k 0 s 0 d 0 ca v s2p3 6p e= -147629.50775 s 2 p 3 p 1 f 0 h 0 k 0 s 0 d 0 ca v s2p3 7p e= -147598.37856 s 2 p 3 p 1 f 0 h 0 k 0 s 0 d 0 ca v s2p3 8p e= -147579.46282 s 2 p 3 p 1 f 0 h 0 k 0 s 0 d 0 ca v s2p3 9p e= -147567.09935 s 2 p 3 p 1 f 0 h 0 k 0 s 0 d 0 ca v s2p3 10p e= -147558.57192 s 2 p 3 p 1 f 0 h 0 k 0 s 0 d 0 ca v s2p3 11p e= -147552.44251 s 0 p 6 p 0 f 0 h 0 k 0 s 0 d 0 ca v p6 e= -147802.19456 s 0 p 5 p 1 f 0 h 0 k 0 s 0 d 0 ca v p5 4p e= -147408.84736 s 0 p 5 p 1 f 0 h 0 k 0 s 0 d 0 ca v p5 5p e= -147282.44474 s 0 p 5 p 1 f 0 h 0 k 0 s 0 d 0 ca v p5 6p e= -147225.02819 s 0 p 5 p 1 f 0 h 0 k 0 s 0 d 0 ca v p5 7p e= -147193.71756 s 0 p 5 p 1 f 0 h 0 k 0 s 0 d 0 ca v p5 8p e= -147174.71288 s 0 p 5 p 1 f 0 h 0 k 0 s 0 d 0 ca v p5 9p e= -147162.30028 s 0 p 5 p 1 f 0 h 0 k 0 s 0 d 0 ca v p5 10p e= -147153.74326 s 0 p 5 p 1 f 0 h 0 k 0 s 0 d 0 ca v p5 11p e= -147147.59511 s 2 p 3 p 0 f 1 h 0 k 0 s 0 d 0 ca v s2p3 4f e= -147703.43882 s 2 p 3 p 0 f 1 h 0 k 0 s 0 d 0 ca v s2p3 5f e= -147638.74910 s 2 p 3 p 0 f 1 h 0 k 0 s 0 d 0 ca v s2p3 6f e= -147603.99805 s 2 p 3 p 0 f 1 h 0 k 0 s 0 d 0 ca v s2p3 7f e= -147583.11825 s 2 p 3 p 0 f 1 h 0 k 0 s 0 d 0 ca v s2p3 8f e= -147569.60038 s 2 p 3 p 0 f 1 h 0 k 0 s 0 d 0 ca v s2p3 9f e= -147560.35590 s 2 p 3 p 0 f 1 h 0 k 0 s 0 d 0 ca v s2p3 10f e= -147553.75823 s 2 p 3 p 0 f 1 h 0 k 0 s 0 d 0 ca v s2p3 11f e= -147548.88349 s 0 p 5 p 0 f 1 h 0 k 0 s 0 d 0 ca v p5 4f e= -147299.33312 s 0 p 5 p 0 f 1 h 0 k 0 s 0 d 0 ca v p5 5f e= -147234.28727 s 0 p 5 p 0 f 1 h 0 k 0 s 0 d 0 ca v p5 6f e= -147199.36252 s 0 p 5 p 0 f 1 h 0 k 0 s 0 d 0 ca v p5 7f e= -147178.38723 s 0 p 5 p 0 f 1 h 0 k 0 s 0 d 0 ca v p5 8f e= -147164.81419 s 0 p 5 p 0 f 1 h 0 k 0 s 0 d 0 ca v p5 9f e= -147155.53608 s 0 p 5 p 0 f 1 h 0 k 0 s 0 d 0 ca v p5 10f e= -147148.91734 s 0 p 5 p 0 f 1 h 0 k 0 s 0 d 0 ca v p5 11f e= -147144.02797 s 2 p 3 p 0 f 0 h 1 k 0 s 0 d 0 ca v s2p3 6h e= -147602.16954 s 2 p 3 p 0 f 0 h 1 k 0 s 0 d 0 ca v s2p3 7h e= -147581.94116 s 2 p 3 p 0 f 0 h 1 k 0 s 0 d 0 ca v s2p3 8h e= -147568.79822 s 2 p 3 p 0 f 0 h 1 k 0 s 0 d 0 ca v s2p3 9h e= -147559.78496 s 2 p 3 p 0 f 0 h 0 k 1 s 0 d 0 ca v s2p3 8k e= -147568.72751 s 2 p 3 p 0 f 0 h 0 k 1 s 0 d 0 ca v s2p3 9k e= -147559.73073 s 1 p 4 p 0 f 0 h 0 k 0 s 1 d 0 ca v sp4 4s e= -147674.51044 s 1 p 4 p 0 f 0 h 0 k 0 s 1 d 0 ca v sp4 5s e= -147521.35899 s 1 p 4 p 0 f 0 h 0 k 0 s 1 d 0 ca v sp4 6s e= -147454.41719 s 1 p 4 p 0 f 0 h 0 k 0 s 1 d 0 ca v sp4 7s e= -147418.88919 s 1 p 4 p 0 f 0 h 0 k 0 s 1 d 0 ca v sp4 8s e= -147397.72991 s 1 p 4 p 0 f 0 h 0 k 0 s 1 d 0 ca v sp4 9s e= -147384.10188 s 1 p 4 p 0 f 0 h 0 k 0 s 0 d 1 ca v sp4 3d e= -147793.38380 s 1 p 4 p 0 f 0 h 0 k 0 s 0 d 1 ca v sp4 4d e= -147555.99413 s 1 p 4 p 0 f 0 h 0 k 0 s 0 d 1 ca v sp4 5d e= -147470.61457 s 1 p 4 p 0 f 0 h 0 k 0 s 0 d 1 ca v sp4 6d e= -147427.93801 s 1 p 4 p 0 f 0 h 0 k 0 s 0 d 1 ca v sp4 7d e= -147403.31380 s 1 p 4 p 0 f 0 h 0 k 0 s 0 d 1 ca v sp4 8d e= -147387.79170 s 1 p 4 p 0 f 0 h 0 k 0 s 0 d 1 ca v sp4 9d e= -147377.37591 s 2 p 3 s 1 d 0 g 0 i 0 p 0 f 0 ca v s2p3 4s e= -147861.31533 s 2 p 3 s 1 d 0 g 0 i 0 p 0 f 0 ca v s2p3 5s e= -147707.26715 s 2 p 3 s 1 d 0 g 0 i 0 p 0 f 0 ca v s2p3 6s e= -147640.13969 s 2 p 3 s 1 d 0 g 0 i 0 p 0 f 0 ca v s2p3 7s e= -147604.54553 s 2 p 3 s 1 d 0 g 0 i 0 p 0 f 0 ca v s2p3 8s e= -147583.35634 s 2 p 3 s 1 d 0 g 0 i 0 p 0 f 0 ca v s2p3 9s e= -147569.71292 s 2 p 3 s 1 d 0 g 0 i 0 p 0 f 0 ca v s2p3 10s e= -147560.41145 s 2 p 3 s 1 d 0 g 0 i 0 p 0 f 0 ca v s2p3 11s e= -147553.78710 s 0 p 5 s 1 d 0 g 0 i 0 p 0 f 0 ca v p5 4s e= -147454.03432 s 0 p 5 s 1 d 0 g 0 i 0 p 0 f 0 ca v p5 5s e= -147301.75306 s 0 p 5 s 1 d 0 g 0 i 0 p 0 f 0 ca v p5 6s e= -147234.98177 s 0 p 5 s 1 d 0 g 0 i 0 p 0 f 0 ca v p5 7s e= -147199.51236 s 0 p 5 s 1 d 0 g 0 i 0 p 0 f 0 ca v p5 8s e= -147178.37899 s 0 p 5 s 1 d 0 g 0 i 0 p 0 f 0 ca v p5 9s e= -147164.76389 s 0 p 5 s 1 d 0 g 0 i 0 p 0 f 0 ca v p5 10s e= -147155.47865 s 0 p 5 s 1 d 0 g 0 i 0 p 0 f 0 ca v p5 11s e= -147148.86440 s 2 p 3 s 0 d 1 g 0 i 0 p 0 f 0 ca v s2p3 3d e= -147973.45837 s 2 p 3 s 0 d 1 g 0 i 0 p 0 f 0 ca v s2p3 4d e= -147740.80126 s 2 p 3 s 0 d 1 g 0 i 0 p 0 f 0 ca v s2p3 5d e= -147655.87541 s 2 p 3 s 0 d 1 g 0 i 0 p 0 f 0 ca v s2p3 6d e= -147613.35008 s 2 p 3 s 0 d 1 g 0 i 0 p 0 f 0 ca v s2p3 7d e= -147588.79446 s 2 p 3 s 0 d 1 g 0 i 0 p 0 f 0 ca v s2p3 8d e= -147573.30881 s 2 p 3 s 0 d 1 g 0 i 0 p 0 f 0 ca v s2p3 9d e= -147562.91368 s 2 p 3 s 0 d 1 g 0 i 0 p 0 f 0 ca v s2p3 10d e= -147555.59660 s 2 p 3 s 0 d 1 g 0 i 0 p 0 f 0 ca v s2p3 11d e= -147550.24920 s 0 p 5 s 0 d 1 g 0 i 0 p 0 f 0 ca v p5 3d e= -147580.32819 s 0 p 5 s 0 d 1 g 0 i 0 p 0 f 0 ca v p5 4d e= -147337.58032 s 0 p 5 s 0 d 1 g 0 i 0 p 0 f 0 ca v p5 5d e= -147251.67780 s 0 p 5 s 0 d 1 g 0 i 0 p 0 f 0 ca v p5 6d e= -147208.82460 s 0 p 5 s 0 d 1 g 0 i 0 p 0 f 0 ca v p5 7d e= -147184.11952 s 0 p 5 s 0 d 1 g 0 i 0 p 0 f 0 ca v p5 8d e= -147168.55503 s 0 p 5 s 0 d 1 g 0 i 0 p 0 f 0 ca v p5 9d e= -147158.11466 s 0 p 5 s 0 d 1 g 0 i 0 p 0 f 0 ca v p5 10d e= -147150.76929 s 0 p 5 s 0 d 1 g 0 i 0 p 0 f 0 ca v p5 11d e= -147145.40390 s 2 p 3 s 0 d 0 g 1 i 0 p 0 f 0 ca v s2p3 5g e= -147636.37297 s 2 p 3 s 0 d 0 g 1 i 0 p 0 f 0 ca v s2p3 6g e= -147602.56420 s 2 p 3 s 0 d 0 g 1 i 0 p 0 f 0 ca v s2p3 7g e= -147582.17179 s 2 p 3 s 0 d 0 g 1 i 0 p 0 f 0 ca v s2p3 8g e= -147568.94440 s 2 p 3 s 0 d 0 g 1 i 0 p 0 f 0 ca v s2p3 9g e= -147559.88394 s 2 p 3 s 0 d 0 g 0 i 1 p 0 f 0 ca v s2p3 7i e= -147581.85889 s 2 p 3 s 0 d 0 g 0 i 1 p 0 f 0 ca v s2p3 8i e= -147568.73863 s 2 p 3 s 0 d 0 g 0 i 1 p 0 f 0 ca v s2p3 9i e= -147559.74065 s 1 p 5 s 0 d 0 g 0 i 0 p 0 f 0 ca v sp5 e= -148028.98821 s 1 p 4 s 0 d 0 g 0 i 0 p 1 f 0 ca v sp4 5p e= -147501.30381 s 1 p 4 s 0 d 0 g 0 i 0 p 1 f 0 ca v sp4 6p e= -147444.12114 s 1 p 4 s 0 d 0 g 0 i 0 p 1 f 0 ca v sp4 7p e= -147412.90645 s 1 p 4 s 0 d 0 g 0 i 0 p 1 f 0 ca v sp4 8p e= -147393.94891 s 1 p 4 s 0 d 0 g 0 i 0 p 1 f 0 ca v sp4 9p e= -147381.56236 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 1 ca v sp4 4f e= -147518.22884 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 1 ca v sp4 5f e= -147453.37006 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 1 ca v sp4 6f e= -147418.53759 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 1 ca v sp4 7f e= -147397.61317 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 1 ca v sp4 8f e= -147384.06951 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 1 ca v sp4 9f e= -147374.80933 a v s2p4 ca v s2p4 -1.72199( 3p//r2// 3p) a v s2p4 ca v s2p3 4p 1.18897( 3p//r2// 4p) a v s2p4 ca v s2p3 5p 0.41507( 3p//r2// 5p) a v s2p4 ca v s2p3 6p 0.23270( 3p//r2// 6p) a v s2p4 ca v s2p3 7p 0.15665( 3p//r2// 7p) a v s2p4 ca v s2p3 8p 0.11588( 3p//r2// 8p) a v s2p4 ca v s2p3 9p 0.09076( 3p//r2// 9p) a v s2p4 ca v s2p3 10p 0.07385( 3p//r2//10p) a v s2p4 ca v s2p3 11p 0.06176( 3p//r2//11p) a v s2p4 ca v p6 0.00000( //r2// ) a v s2p4 ca v p5 4p 0.00000( //r2// ) a v s2p4 ca v p5 5p 0.00000( //r2// ) a v s2p4 ca v p5 6p 0.00000( //r2// ) a v s2p4 ca v p5 7p 0.00000( //r2// ) a v s2p4 ca v p5 8p 0.00000( //r2// ) a v s2p4 ca v p5 9p 0.00000( //r2// ) a v s2p4 ca v p5 10p 0.00000( //r2// ) a v s2p4 ca v p5 11p 0.00000( //r2// ) a v s2p4 ca v s2p3 4f -1.86462( 3p//r2// 4f) a v s2p4 ca v s2p3 5f -1.07556( 3p//r2// 5f) a v s2p4 ca v s2p3 6f -0.69857( 3p//r2// 6f) a v s2p4 ca v s2p3 7f -0.49990( 3p//r2// 7f) a v s2p4 ca v s2p3 8f -0.38193( 3p//r2// 8f) a v s2p4 ca v s2p3 9f -0.30514( 3p//r2// 9f) a v s2p4 ca v s2p3 10f -0.25172( 3p//r2//10f) a v s2p4 ca v s2p3 11f -0.21266( 3p//r2//11f) a v s2p4 ca v p5 4f 0.00000( //r2// ) a v s2p4 ca v p5 5f 0.00000( //r2// ) a v s2p4 ca v p5 6f 0.00000( //r2// ) a v s2p4 ca v p5 7f 0.00000( //r2// ) a v s2p4 ca v p5 8f 0.00000( //r2// ) a v s2p4 ca v p5 9f 0.00000( //r2// ) a v s2p4 ca v p5 10f 0.00000( //r2// ) a v s2p4 ca v p5 11f 0.00000( //r2// ) a v s2p4 ca v s2p3 6h 0.00000( //r2// ) a v s2p4 ca v s2p3 7h 0.00000( //r2// ) a v s2p4 ca v s2p3 8h 0.00000( //r2// ) a v s2p4 ca v s2p3 9h 0.00000( //r2// ) a v s2p4 ca v s2p3 8k 0.00000( //r2// ) a v s2p4 ca v s2p3 9k 0.00000( //r2// ) a v s2p4 ca v sp4 4s 0.00000( //r2// ) a v s2p4 ca v sp4 5s 0.00000( //r2// ) a v s2p4 ca v sp4 6s 0.00000( //r2// ) a v s2p4 ca v sp4 7s 0.00000( //r2// ) a v s2p4 ca v sp4 8s 0.00000( //r2// ) a v s2p4 ca v sp4 9s 0.00000( //r2// ) a v s2p4 ca v sp4 3d 1.52130( 3s//r2// 3d) a v s2p4 ca v sp4 4d -0.42908( 3s//r2// 4d) a v s2p4 ca v sp4 5d -0.28105( 3s//r2// 5d) a v s2p4 ca v sp4 6d -0.19663( 3s//r2// 6d) a v s2p4 ca v sp4 7d -0.14723( 3s//r2// 7d) a v s2p4 ca v sp4 8d -0.11574( 3s//r2// 8d) a v s2p4 ca v sp4 9d -0.09422( 3s//r2// 9d) a v s2p3 4p ca v s2p4 1.18897( 4p//r2// 3p) a v s2p3 4p ca v s2p3 4p -9.38708( 4p//r2// 4p) a v s2p3 4p ca v s2p3 5p 5.67807( 4p//r2// 5p) a v s2p3 4p ca v s2p3 6p 1.67634( 4p//r2// 6p) a v s2p3 4p ca v s2p3 7p 0.88129( 4p//r2// 7p) a v s2p3 4p ca v s2p3 8p 0.57423( 4p//r2// 8p) a v s2p3 4p ca v s2p3 9p 0.41711( 4p//r2// 9p) a v s2p3 4p ca v s2p3 10p 0.32322( 4p//r2//10p) a v s2p3 4p ca v s2p3 11p 0.26135( 4p//r2//11p) a v s2p3 4p ca v p6 0.00000( //r2// ) a v s2p3 4p ca v p5 4p 0.00000( //r2// ) a v s2p3 4p ca v p5 5p 0.00000( //r2// ) a v s2p3 4p ca v p5 6p 0.00000( //r2// ) a v s2p3 4p ca v p5 7p 0.00000( //r2// ) a v s2p3 4p ca v p5 8p 0.00000( //r2// ) a v s2p3 4p ca v p5 9p 0.00000( //r2// ) a v s2p3 4p ca v p5 10p 0.00000( //r2// ) a v s2p3 4p ca v p5 11p 0.00000( //r2// ) a v s2p3 4p ca v s2p3 4f 12.86872( 4p//r2// 4f) a v s2p3 4p ca v s2p3 5f -2.79146( 4p//r2// 5f) a v s2p3 4p ca v s2p3 6f -2.19148( 4p//r2// 6f) a v s2p3 4p ca v s2p3 7f -1.58744( 4p//r2// 7f) a v s2p3 4p ca v s2p3 8f -1.20333( 4p//r2// 8f) a v s2p3 4p ca v s2p3 9f -0.95226( 4p//r2// 9f) a v s2p3 4p ca v s2p3 10f -0.77906( 4p//r2//10f) a v s2p3 4p ca v s2p3 11f -0.65379( 4p//r2//11f) a v s2p3 4p ca v p5 4f 0.00000( //r2// ) a v s2p3 4p ca v p5 5f 0.00000( //r2// ) a v s2p3 4p ca v p5 6f 0.00000( //r2// ) a v s2p3 4p ca v p5 7f 0.00000( //r2// ) a v s2p3 4p ca v p5 8f 0.00000( //r2// ) a v s2p3 4p ca v p5 9f 0.00000( //r2// ) a v s2p3 4p ca v p5 10f 0.00000( //r2// ) a v s2p3 4p ca v p5 11f 0.00000( //r2// ) a v s2p3 4p ca v s2p3 6h 0.00000( //r2// ) a v s2p3 4p ca v s2p3 7h 0.00000( //r2// ) a v s2p3 4p ca v s2p3 8h 0.00000( //r2// ) a v s2p3 4p ca v s2p3 9h 0.00000( //r2// ) a v s2p3 4p ca v s2p3 8k 0.00000( //r2// ) a v s2p3 4p ca v s2p3 9k 0.00000( //r2// ) a v s2p3 4p ca v sp4 4s 0.00000( //r2// ) a v s2p3 4p ca v sp4 5s 0.00000( //r2// ) a v s2p3 4p ca v sp4 6s 0.00000( //r2// ) a v s2p3 4p ca v sp4 7s 0.00000( //r2// ) a v s2p3 4p ca v sp4 8s 0.00000( //r2// ) a v s2p3 4p ca v sp4 9s 0.00000( //r2// ) a v s2p3 4p ca v sp4 3d 0.00000( //r2// ) a v s2p3 4p ca v sp4 4d 0.00000( //r2// ) a v s2p3 4p ca v sp4 5d 0.00000( //r2// ) a v s2p3 4p ca v sp4 6d 0.00000( //r2// ) a v s2p3 4p ca v sp4 7d 0.00000( //r2// ) a v s2p3 4p ca v sp4 8d 0.00000( //r2// ) a v s2p3 4p ca v sp4 9d 0.00000( //r2// ) a v s2p3 5p ca v s2p4 0.41507( 5p//r2// 3p) a v s2p3 5p ca v s2p3 4p 5.67807( 5p//r2// 4p) a v s2p3 5p ca v s2p3 5p -30.09671( 5p//r2// 5p) a v s2p3 5p ca v s2p3 6p 16.20392( 5p//r2// 6p) a v s2p3 5p ca v s2p3 7p 4.46431( 5p//r2// 7p) a v s2p3 5p ca v s2p3 8p 2.25222( 5p//r2// 8p) a v s2p3 5p ca v s2p3 9p 1.43035( 5p//r2// 9p) a v s2p3 5p ca v s2p3 10p 1.02201( 5p//r2//10p) a v s2p3 5p ca v s2p3 11p 0.78342( 5p//r2//11p) a v s2p3 5p ca v p6 0.00000( //r2// ) a v s2p3 5p ca v p5 4p 0.00000( //r2// ) a v s2p3 5p ca v p5 5p 0.00000( //r2// ) a v s2p3 5p ca v p5 6p 0.00000( //r2// ) a v s2p3 5p ca v p5 7p 0.00000( //r2// ) a v s2p3 5p ca v p5 8p 0.00000( //r2// ) a v s2p3 5p ca v p5 9p 0.00000( //r2// ) a v s2p3 5p ca v p5 10p 0.00000( //r2// ) a v s2p3 5p ca v p5 11p 0.00000( //r2// ) a v s2p3 5p ca v s2p3 4f -16.24045( 5p//r2// 4f) a v s2p3 5p ca v s2p3 5f 39.27490( 5p//r2// 5f) a v s2p3 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